SCHEMBL3478036

SCHEMBL3478036

[CH2]c1cccc(N(CCCN(C)C)C(=O)NC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.49
LCK P06239 1/20 0.39
HDAC6 Q9UBN7 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
GPX4 P36969 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
MTNR1A P48039 8/20 0.34
MTNR1B P49286 8/20 0.34
HDAC1 Q13547 1/20 0.33
LTA4H P09960 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3478037 0.71 CA12 (0.44) HDAC6TP53LTA4H
SCHEMBL4602423 0.69 LPL (0.43) ROCK2HDAC6ALDH1A1NPC1TP53
SCHEMBL9337303 0.69 HDAC6 (0.58) ROCK2HDAC6ALDH1A1SMN1; SMN2NPC1
SCHEMBL9339208 0.68 NPC1 (0.61) ROCK2HDAC6ALDH1A1SMN1; SMN2NPC1
SCHEMBL31310431 0.67 NPC1 (0.64) HDAC6ALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL9339113 0.67 NPC1 (0.64) HDAC6ALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL11596053 0.67 ROCK2 (0.39) ROCK2ALDH1A1LTA4H
SCHEMBL294596 0.66 SMN1; SMN2 (0.49) KDM4EALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL18358943 0.65 HRH3 (0.48) KDM4EALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL9340745 0.65 TP53 (0.54) ROCK2HDAC6ALDH1A1SMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
US-20040180912-A1 Quinazoline derivatives NOVARTIS AG (CH) 2004-09-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040180912-A1 Quinazoline derivatives PTH1R, PTMS, CALCA ROCK2 3196/4885LCK 4058/4885HDAC6 779/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.